Attach__1_SOW_CTS_013118.docx

68HE0D18Q0026

Attachment# 1 SOW

Statement of Work

Period of Performance The period of performance will be from the date of issuance through 24 months. This requirement will be an Indefinite delivery/indefinite quantity (IDIQ) firm fixed price (FFP) labor hour effort with a minimum of 1,300 labor hours and a maximum of 6,500 labor hours for the stated 24-month period of performance.

Purpose/Objective/Product Vision The objective of this effort is to implement appropriate technologies and update the source code for the Chemical Transformation System (CTS). The CTS is a web-based application system that provides the calculated physico-chemical properties of the parent chemical and transformation products, which are predicted as a function of the reaction system of interest. This is accomplished through the integration of cheminformatics applications for the encoding of process science underlying transformation pathways, computational chemistry tools for the calculation of physico-chemical properties, and software technologies that provide access to on-line databases for environmental descriptors required for estimating environmental concentrations. These modeling technologies will allow for the seamless access to databases and the parameritization of environmental fate and transport (EF&T) models necessary for the estimation of the environmental concentrations of chemical stressors in soil and aquatic ecosystems. This computational tool will be used to screen for potential routes of exposure of humans and wildlife to organic chemicals for which the physicochemical and reactivity data is sparse. The anticipated impact of the CTS is to provide the program offices with a computational system to conduct high-throughput screening level exposure assessments based on predefined or user-defined exposure scenarios. This system is to be deployed internally within the EPA for government users and externally on a public-facing server for use by the public, academia, and the regulated community.

Background

The objective is to continue design and implementation of the CTS. CTS is an evolving web-based framework built within the quantitative exposure domain (QED) system of frameworks currently housed on the EPA cloud. CTS is a system of applications supporting the rapid assessment of chemical properties and chemical transformations under environmental conditions in order to mitigate risk associated with agricultural/industrial use of potentially harmful chemicals and their transformation products. The CTS will provide support to EPA’s Office of Chemical Safety and Pollution Prevention (OCSPP) and Office of Pesticides Program that are responsible for the registration and exposure assessment of toxic chemicals under the Toxic Substances Control Act (TSCA) and pesticides under Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA).

Statement of Work The following tasks are associated with this Statement of Work (SOW):

Task 1. Project Management

· Contractor shall serve as expert providing guidance and opinion for web application development technology usage in regards to CTS.

· The contractor shall participate in and contribute to daily meetings known as scrums for the QED framework, keeping the CTS project compatible with said framework’s evolution.

· Contractor shall serve as scrum master for CTS, implementing agile software development processes through the use of scrum methodology.

· The Contractor shall attend weekly interdisciplinary meetings with the CTS team involving task leads, the Principal Investigator (PI), supporting chemist and other members. During these meetings, the contractor shall demo weekly enhancements to CTS with feedback provided by the team.

Task 2. Maintain, document, and continue developing the CTS project The contractor shall perform the following tasks in regards to the CTS:

· Maintain, update, and integrate representational state transfer (RESTful) web services for accessing the chemical calculators consumed by CTS. Chemical properties will be derived from multiple tools (Chemaxon, SPARC, EpiSuite, TEST) and from multiple online databases (JChem, DSSTox and others as services become available (e.g.; ChemSpider, PubChem).

· Create detailed documentation for RESTful application programming interfaces (API).

· Keep CTS RESTful APIs up to date with the most current methodologies, making sure they’re scalable, transparent, standalone, and easy to integrate with other projects.

· Produce log files the user can access, which details all the assumptions, calculations, and sources used in all of the CTS background operations in order to maintain transparency.

· Implement a scalable queuing server between the front and back end of CTS for handling high traffic loads.

· Maintain and configure EPA cloud-based servers hosting CTS and the various components CTS consumes.

· Load testing and load balancing of EPA cloud-based servers, making sure CTS can operate under heavy traffic scenarios.

· Develop code for database caching of previously-run chemicals, which will greatly reduce execution times and mitigate server loads and processing time, providing a rich user experience.

· Incorporate an option for downloading the output data of the CTS into an excel spreadsheet file for the user.

· Create a batching system for CTS enabling users to automatically run a sequence of chemicals. An excel spreadsheet file will be generated at the end of the process along with a log file detailing all the transparencies of the background processes (e.g., chemical calculators used, any assumptions made, all calculations performed, sources for values, etc.).

· Develop, test and implement user access controls using established and acceptable technologies that facilitate users’ access to CTS results.

Deliverables The following is a list of deliverables that shall be provided by the contractor:

· Documented API functionality.

· Application source code that is archived and labeled in the repository of current usage GitHub, a web-based hosting service.

· Documented and operational queuing services for CTS batch application.

· Documented (testing results tables) and operational load balanced CTS for multiple users’ access.

· Documented and functional user account control (UAC).

Schedule Delivery of the CTS Version 1.0 shall be made in September of 2018.